2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide

C10H10BrNO3 — CID 82123910

IUPAC2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H10BrNO3/c1-12-10(14)9(13)6-3-4-8(15-2)7(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyBYJMUNQLNBTLLP-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.39
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide

2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide (PubChem CID 82123910) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
PubChem CID82123910
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H10BrNO3/c1-12-10(14)9(13)6-3-4-8(15-2)7(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyBYJMUNQLNBTLLP-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
2-(4-methoxy-3-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 82116578
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
4-(3-bromo-4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 94311085
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide (CID 82123910) is 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is BYJMUNQLNBTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-12-10(14)9(13)6-3-4-8(15-2)7(11)5-6/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide?
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 272.10 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 82123910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).